4-azanyl-3-[(4-iodanyl-2-methyl-phenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid

Systemtic Name: 4-azanyl-3-[(4-iodanyl-2-methyl-phenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Openeye Name: 4-amino-3-(4-iodo-2-methyl-phenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid CAS Name: 4-amino-3-(4-iodo-2-methylphenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid IUPAC Name: 4-amino-3-[(4-iodo-2-methylphenyl)diazenyl]-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Traditional Name: 4-amino-3-(4-iodo-2-methyl-phenyl)azo-1,4,4a,8a-tetrahydronaphthalene-1-sulfonic acid Formula: C17H18IN3O3S MolecularWeight: 471.31259

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)N=NC2=CC(C3C=CC=CC3C2N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)I)N=NC2=CC(C3C=CC=CC3C2N)S(=O)(=O)O

InChI

InChI=1S/C17H18IN3O3S/c1-10-8-11(18)6-7-14(10)20-21-15-9-16(25(22,23)24)12-4-2-3-5-13(12)17(15)19/h2-9,12-13,16-17H,19H2,1H3,(H,22,23,24)